(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C11H11NOS3 — CID 5337203

IUPAC(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)/C(=C\c2cccs2)SC1=S
InChIInChI=1S/C11H11NOS3/c1-7(2)12-10(13)9(16-11(12)14)6-8-4-3-5-15-8/h3-7H,1-2H3/b9-6+
InChIKeyPDIVOXNKNPHDHM-RMKNXTFCSA-N
MW269.42 g/mol
LogP3.36
Rot. Bonds2

About (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 5337203) has the molecular formula C11H11NOS3 and a molecular weight of 269.42 g/mol. Its IUPAC name is (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID5337203
Molecular FormulaC11H11NOS3
Molecular Weight269.42 g/mol
Exact Mass269.00
IUPAC Name(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)/C(=C\c2cccs2)SC1=S
InChIInChI=1S/C11H11NOS3/c1-7(2)12-10(13)9(16-11(12)14)6-8-4-3-5-15-8/h3-7H,1-2H3/b9-6+
InChIKeyPDIVOXNKNPHDHM-RMKNXTFCSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 5337203) is (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)N1C(=O)/C(=C\c2cccs2)SC1=S.
What is the InChIKey of (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PDIVOXNKNPHDHM-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H11NOS3/c1-7(2)12-10(13)9(16-11(12)14)6-8-4-3-5-15-8/h3-7H,1-2H3/b9-6+.
What are the key properties of (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 269.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-propan-2-yl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5337203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).